Papers by Author: Yasuharu Shirai

Abstract: Creep deformation mechanism of the steels with a different matrix, α (ferrite), α’ (martensite) and γ (austenite), and precipitates such as MX and M23C6 has been analyzed using positron annihilation lifetime measurement. The positron annihilation lifetime has been found to be a very useful tool for evaluating the characteristic creep damage of the steels with different microstructure and the corresponding microstructural evolution during creep deformation. The creep deformation process of the α steel is heterogeneous, while the α’+M23C6 steel exhibits gradual changes in the creep rate in both transient and acceleration creep regions with the largest off-set strain, implying the homogeneous creep deformation. The α’+M23C6+ MX steel is in between the α and α’+M23C6 steels. The homogeneous creep deformation takes place in the γ steel.

Abstract: The formation of Mg vacancy induced by ultra-dilute trivalent impurities in MgO is investigated by a combination of positron lifetime measurements and first-principles calculations. The undoped MgO yields the shortest positron lifetime of 140 ps that is shorter than that of a single crystal sample. The positron lifetime of the doped samples increases with the increase of the Al dopant concentration and is saturated at around 180 ps. This result clearly indicates that the formation of Mg vacancy is induced by Al dopant. The concentration of the other trivalent impurities can be evaluated using the result of component analysis of positron lifetimes. The experimental bulk lifetime of 130 ps, which is obtained by employing trapping model, is well reproduced by the theoretical calculation using the semiconductor model. The calculated defect lifetime is about 20 ps longer than the experimental value. This may be due to the lattice relaxation around Mg vacancy associated with the trapping of positrons.

Abstract: Some of intermetallic compounds exist in a wide range of concentration around the stoichiometric composition. First-principles electronic structure calculations have been performed for constitutional defects in non-stoichiometric CoAl and CoTi in order to investigate their stabilities and structural relaxations induced by constitutional defects. For the evaluation of stabilities of constitutional defects, the compositional dependence curves both of formation energies and of lattice parameters are obtained by the calculations employing supercells in various sizes. The lattice relaxations around constitutional defects are discussed by analyzing the change in electronic structures induced by constitutional defects.